N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide

C18H19ClN2O3 — CID 99839578

IUPACN-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide
SMILESO=C(C[C@H]1CCCOC1)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1
InChIInChI=1S/C18H19ClN2O3/c19-13-5-6-15(14(10-13)18(23)16-4-1-7-20-16)21-17(22)9-12-3-2-8-24-11-12/h1,4-7,10,12,20H,2-3,8-9,11H2,(H,21,22)/t12-/m1/s1
InChIKeyVVASXRWZPWXBGZ-GFCCVEGCSA-N
MW346.81 g/mol
LogP3.65
Rot. Bonds5

About N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide

N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide (PubChem CID 99839578) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide
PubChem CID99839578
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide
SMILESO=C(C[C@H]1CCCOC1)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1
InChIInChI=1S/C18H19ClN2O3/c19-13-5-6-15(14(10-13)18(23)16-4-1-7-20-16)21-17(22)9-12-3-2-8-24-11-12/h1,4-7,10,12,20H,2-3,8-9,11H2,(H,21,22)/t12-/m1/s1
InChIKeyVVASXRWZPWXBGZ-GFCCVEGCSA-N
XLogP3.65
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide
CID 110864058
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide
CID 110863811
N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
CID 110865266
N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide
CID 75437642
N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide
CID 110862725
(2S)-2,6-diamino-N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]hexanamide
CID 50897796
1-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]urea
CID 97248254
N-(2,5-dichlorophenyl)-2-(oxetan-3-yl)acetamide
CID 110476456
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
5-chloro-2-[(2-pyrrolidin-2-ylacetyl)amino]benzoic acid
CID 61365655
1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea
CID 118782410
1-[[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122088004

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide?
The IUPAC name of N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide (CID 99839578) is N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide.
What is the SMILES notation for N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide?
The canonical SMILES for N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide is O=C(C[C@H]1CCCOC1)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1.
What is the InChIKey of N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide?
The InChIKey is VVASXRWZPWXBGZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-13-5-6-15(14(10-13)18(23)16-4-1-7-20-16)21-17(22)9-12-3-2-8-24-11-12/h1,4-7,10,12,20H,2-3,8-9,11H2,(H,21,22)/t12-/m1/s1.
What are the key properties of N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide?
N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide has a molecular weight of 346.81 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide is sourced from PubChem (CID 99839578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).